The convolution described in equation REF  could effectively accumulate the interaction among immediately connected vertices. and has been successful applied in some material property prediction tasks [1]} .
However, it does not seem to fit well for metal-organic framework materials, whose properties are usually highly dependent on the geometric structure of the atoms of the framework in a large neighborhood, instead of merely among the bound atoms.
Reducing the 3D spatial relation to pairwise distance between bound atoms neglects the interactions among the atoms in the same neighborhood but not bounded.
Also, the parameter-sharing design of GCNs forces the model to calculate the interaction sequentially.
In the real world, however, atoms interact with its bonded neighbors simultaneously.
This drawback pushes the GCN model further away from accurately modeling the true local chemical environment of the atoms.
